N-[1-[3-[2-(4-cyclohexyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide

C22H25N3O4S — CID 23648781

IUPACN-[1-[3-[2-(4-cyclohexyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OC4CCCCC4)cc3)s2)no1
InChIInChI=1S/C22H25N3O4S/c1-14(24-15(2)26)20-12-19(25-29-20)21-13-23-22(30-21)28-18-10-8-17(9-11-18)27-16-6-4-3-5-7-16/h8-14,16H,3-7H2,1-2H3,(H,24,26)
InChIKeyIZFZUYNCTHYHRI-UHFFFAOYSA-N
MW427.53 g/mol
LogP5.50
Rot. Bonds7

About N-[1-[3-[2-(4-cyclohexyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide

N-[1-[3-[2-(4-cyclohexyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide (PubChem CID 23648781) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[1-[3-[2-(4-cyclohexyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[3-[2-(4-cyclohexyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
PubChem CID23648781
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC NameN-[1-[3-[2-(4-cyclohexyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OC4CCCCC4)cc3)s2)no1
InChIInChI=1S/C22H25N3O4S/c1-14(24-15(2)26)20-12-19(25-29-20)21-13-23-22(30-21)28-18-10-8-17(9-11-18)27-16-6-4-3-5-7-16/h8-14,16H,3-7H2,1-2H3,(H,24,26)
InChIKeyIZFZUYNCTHYHRI-UHFFFAOYSA-N
XLogP5.50
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.53
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[3-[2-(4-cyclohexyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[2-(4-cyclohexyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
The IUPAC name of N-[1-[3-[2-(4-cyclohexyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide (CID 23648781) is N-[1-[3-[2-(4-cyclohexyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[3-[2-(4-cyclohexyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[3-[2-(4-cyclohexyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide is CC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(OC4CCCCC4)cc3)s2)no1.
What is the InChIKey of N-[1-[3-[2-(4-cyclohexyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
The InChIKey is IZFZUYNCTHYHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-14(24-15(2)26)20-12-19(25-29-20)21-13-23-22(30-21)28-18-10-8-17(9-11-18)27-16-6-4-3-5-7-16/h8-14,16H,3-7H2,1-2H3,(H,24,26).
What are the key properties of N-[1-[3-[2-(4-cyclohexyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
N-[1-[3-[2-(4-cyclohexyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide has a molecular weight of 427.53 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[2-(4-cyclohexyloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 23648781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).